N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide

C19H19N3O5 — CID 19386875

IUPACN-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
SMILESCC(=O)NCC1=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2OC1(C)C
InChIInChI=1S/C19H19N3O5/c1-12(23)20-11-15-18(21-9-5-4-6-17(21)24)14-10-13(22(25)26)7-8-16(14)27-19(15,2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNQKKQQZVEFZBQC-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.32
Rot. Bonds4

About N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide

N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide (PubChem CID 19386875) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
PubChem CID19386875
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
SMILESCC(=O)NCC1=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2OC1(C)C
InChIInChI=1S/C19H19N3O5/c1-12(23)20-11-15-18(21-9-5-4-6-17(21)24)14-10-13(22(25)26)7-8-16(14)27-19(15,2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNQKKQQZVEFZBQC-UHFFFAOYSA-N
XLogP2.32
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide?
The IUPAC name of N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide (CID 19386875) is N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide is CC(=O)NCC1=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc2OC1(C)C.
What is the InChIKey of N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide?
The InChIKey is NQKKQQZVEFZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(23)20-11-15-18(21-9-5-4-6-17(21)24)14-10-13(22(25)26)7-8-16(14)27-19(15,2)3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide?
N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide is sourced from PubChem (CID 19386875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).